Name: DX600 TFA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212659353
Cas No:
常用名:DX600 TFA
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-(2-acetamidoacetamido)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]pentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[({[(carbamoylmethyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}butanoic acid; trifluoroacetic acid
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-(2-acetamidoacetamido)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]pentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[({[(carbamoylmethyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}butanoic acid; trifluoroacetic acid
InChI key:ZFSBCBZLOWIFOF-KCBXVUPGSA-N

分子式:C123H169F3N32O39S2
分子量:2841.01
氢键供体数 (HBD):38
氢键受体数 (HBA):42
LogP:-19.577305
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(N)=O
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(N)=O

DX600 TFA 是 ACE2 的特异性抑制剂，不会与 ACE 发生交叉反应。

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
1-3天
纯度
99.54%
¥ 1,660.00
1

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